1-(cyclopenten-1-yl)-2,2,2-trifluoroethanol

C7H9F3O — CID 62079106

IUPAC1-(cyclopenten-1-yl)-2,2,2-trifluoroethanol
SMILESOC(C1=CCCC1)C(F)(F)F
InChIInChI=1S/C7H9F3O/c8-7(9,10)6(11)5-3-1-2-4-5/h3,6,11H,1-2,4H2
InChIKeyUWQPWKGYWCLOQO-UHFFFAOYSA-N
MW166.14 g/mol
LogP2.02
Rot. Bonds1

About 1-(cyclopenten-1-yl)-2,2,2-trifluoroethanol

1-(cyclopenten-1-yl)-2,2,2-trifluoroethanol (PubChem CID 62079106) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2,2,2-trifluoroethanol
PubChem CID62079106
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name1-(cyclopenten-1-yl)-2,2,2-trifluoroethanol
SMILESOC(C1=CCCC1)C(F)(F)F
InChIInChI=1S/C7H9F3O/c8-7(9,10)6(11)5-3-1-2-4-5/h3,6,11H,1-2,4H2
InChIKeyUWQPWKGYWCLOQO-UHFFFAOYSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(cyclopenten-1-yl)-2,2,2-trifluoroethanol (CID 62079106) is 1-(cyclopenten-1-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(cyclopenten-1-yl)-2,2,2-trifluoroethanol is OC(C1=CCCC1)C(F)(F)F.
What is the InChIKey of 1-(cyclopenten-1-yl)-2,2,2-trifluoroethanol?
The InChIKey is UWQPWKGYWCLOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O/c8-7(9,10)6(11)5-3-1-2-4-5/h3,6,11H,1-2,4H2.
What are the key properties of 1-(cyclopenten-1-yl)-2,2,2-trifluoroethanol?
1-(cyclopenten-1-yl)-2,2,2-trifluoroethanol has a molecular weight of 166.14 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 62079106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).